1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-phenylpropyl)piperazine; oxalic acid Formula: C23H29BrN2O5 MolecularWeight: 493.39076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27BrN2O.C2H2O4/c1-25-21-10-9-20(22)16-19(21)17-24-14-12-23(13-15-24)11-5-8-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3;(H,3,4)(H,5,6)